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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(11R,12S,14R,15R,37R,38R,40R,57R,58S,64S)-4,5,6,20,21,22,25,26,30,31,32,38,46,47,48,51,52-heptadecahydroxy-9,17,35,43,55,61-hexaoxo-12,64-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.514,27.111,15.03,8.018,23.029,34.040,57.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-58-yl] 3,4,5-trihydroxybenzoate
|
1721.20
|
3.6
|
26
|
48
|
799.6
|
9
|
|
|
(-)-Bacopasaponin C
|
899.10
|
2
|
9
|
17
|
255.91
|
9
|
|
|
(4aS,6aS,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
472.70
|
6.5
|
3
|
4
|
77.76
|
1
|
|
|
9-beta-D-Ribofuranosylxanthine
|
284.23
|
-2.4
|
5
|
7
|
153.46
|
2
|
|
|
1-(2,4-dihydroxyphenyl)-3-[(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]propan-1-one
|
408.50
|
5.9
|
3
|
5
|
86.99
|
7
|
|
|
2,5-Dimethylbenzoic acid
|
150.17
|
2.2
|
1
|
2
|
37.3
|
1
|
|
|
(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
|
414.40
|
2
|
1
|
8
|
92.68
|
4
|
|
|
Conferol
|
382.50
|
4.7
|
1
|
4
|
59.67
|
3
|
|
|
Pyrazine, 2-methoxy-5-(2-methylpropyl)-
|
166.22
|
1.7
|
0
|
3
|
35.01
|
3
|
|
|
(4Z)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one
|
372.40
|
3.7
|
3
|
6
|
96.22
|
9
|
|
|
Ferulin
|
244.28
|
1.3
|
0
|
3
|
43.37
|
0
|
|
|
2,4-Dimethylbenzoic acid
|
150.17
|
2.8
|
1
|
2
|
37.3
|
1
|
|
|
2'-Hydroxy-4',5'-dimethylacetophenone
|
164.20
|
2.5
|
1
|
2
|
37.3
|
1
|
|
|
2-[(2R,4aS,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol
|
222.37
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
456.70
|
8.2
|
2
|
3
|
57.53
|
2
|
|
|
(1R,4R,7S,9R,10S,13S)-5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-ol
|
320.50
|
2.9
|
3
|
3
|
60.69
|
2
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
957.10
|
2.7
|
11
|
19
|
312.05
|
10
|
|
|
Sanchinoside B2
|
638.90
|
4.3
|
7
|
9
|
160.07
|
7
|
|
|
Malonylginsenoside Rb1
|
1195.30
|
0
|
15
|
26
|
420.66
|
20
|
|
|
3,6,12-Trihydroxydammar-10(22),24-diene-O-rhamnosyl-(1-2)-glucopyranoside
|
767.00
|
4.5
|
8
|
12
|
198.76
|
8
|
|
|
Argentatin A
|
472.70
|
5.4
|
2
|
4
|
66.76
|
2
|
|
|
24-Methylene pollinastanol
|
412.70
|
9.5
|
1
|
1
|
20.23
|
5
|
|
|
3-Epicyclolaudenol
|
440.70
|
10.4
|
1
|
1
|
20.23
|
5
|
|
|
Tetraoctadec-11-enoyl cardiolipin
|
1458.00
|
26.7
|
3
|
17
|
256.57
|
82
|
|
|
(R)-1-PeCSO
|
177.22
|
-3.4
|
2
|
5
|
99.6
|
4
|
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